1-[4-fluoranyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazol-2-yl]but-3-enyl hydrogen carbonate

Systemtic Name: 1-[4-fluoranyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazol-2-yl]but-3-enyl hydrogen carbonate Openeye Name: 1-[5-(tert-butoxycarbonylamino)-4-fluoro-1,3-benzothiazol-2-yl]but-3-enyl hydrogen carbonate CAS Name: carbonic acid 1-[4-fluoro-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1,3-benzothiazol-2-yl]but-3-enyl ester IUPAC Name: 1-[4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazol-2-yl]but-3-enyl hydrogen carbonate Traditional Name: carbonic acid 1-[5-(tert-butoxycarbonylamino)-4-fluoro-1,3-benzothiazol-2-yl]but-3-enyl ester Formula: C17H19FN2O5S MolecularWeight: 382.406563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C2=C(C=C1)SC(=N2)C(CC=C)OC(=O)O)F

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C2=C(C=C1)SC(=N2)C(CC=C)OC(=O)O)F

InChI

InChI=1S/C17H19FN2O5S/c1-5-6-10(24-16(22)23)14-20-13-11(26-14)8-7-9(12(13)18)19-15(21)25-17(2,3)4/h5,7-8,10H,1,6H2,2-4H3,(H,19,21)(H,22,23)